Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK1 | P51617 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 3/20 | 0.33 |
| ▸ | SMO | Q99835 | 1/20 | 0.33 |
| ▸ | GAK | O14976 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.32 |
| ▸ | RBP4 | P02753 | 2/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2452207 | 1.00 | IRAK1 (0.35) | IRAK1KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL2448595 | 0.93 | AURKA (0.36) | IRAK1KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL1703312 | 0.91 | IRAK1 (0.34) | IRAK1KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL2452968 | 0.91 | IRAK1 (0.34) | IRAK1KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL2451535 | 0.89 | MAPT (0.38) | IRAK1KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL3796409 | 0.88 | CYP3A4 (0.40) | IRAK1KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL2448864 | 0.88 | CYP3A4 (0.40) | IRAK1KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL1702751 | 0.88 | IRAK1 (0.36) | IRAK1KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL1702753 | 0.88 | IRAK1 (0.36) | IRAK1KDM4EALDH1A1MAPTALOX15 | |
| SCHEMBL3759266 | 0.85 | IRAK1 (0.37) | IRAK1KDM4EALDH1A1MAPTALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440528-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010142656-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-16 | — | — | WO | disclosed |